2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole

C7H4F3N3S — CID 134116343

IUPAC2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(-n2cccc2)s1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)5-11-12-6(14-5)13-3-1-2-4-13/h1-4H
InChIKeyLULYHUHREKYIMS-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.35
Rot. Bonds1

About 2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole

2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 134116343) has the molecular formula C7H4F3N3S and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID134116343
Molecular FormulaC7H4F3N3S
Molecular Weight219.19 g/mol
Exact Mass219.01
IUPAC Name2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(-n2cccc2)s1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)5-11-12-6(14-5)13-3-1-2-4-13/h1-4H
InChIKeyLULYHUHREKYIMS-UHFFFAOYSA-N
XLogP2.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 134116343) is 2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(-n2cccc2)s1.
What is the InChIKey of 2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is LULYHUHREKYIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3S/c8-7(9,10)5-11-12-6(14-5)13-3-1-2-4-13/h1-4H.
What are the key properties of 2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 219.19 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 134116343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).